ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

C15H17NO4S — CID 718648

IUPACethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N
InChIInChI=1S/C15H17NO4S/c1-4-20-15(17)13-10(8-21-14(13)16)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3
InChIKeyOZWGHIQPWZHYPG-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (PubChem CID 718648) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
PubChem CID718648
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Nameethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N
InChIInChI=1S/C15H17NO4S/c1-4-20-15(17)13-10(8-21-14(13)16)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3
InChIKeyOZWGHIQPWZHYPG-UHFFFAOYSA-N
XLogP3.19
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CID 718648) is ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The InChIKey is OZWGHIQPWZHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-4-20-15(17)13-10(8-21-14(13)16)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 718648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).